N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

C26H30N4O4 — CID 22426976

IUPACN'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C26H30N4O4/c1-3-34-23-7-5-4-6-22(23)29-26(32)11-10-25(31)27-19-8-9-21-20(17-19)18(2)16-24(28-21)30-12-14-33-15-13-30/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyFKNXYPURUUTCKL-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.14
Rot. Bonds8

About N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (PubChem CID 22426976) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
PubChem CID22426976
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C26H30N4O4/c1-3-34-23-7-5-4-6-22(23)29-26(32)11-10-25(31)27-19-8-9-21-20(17-19)18(2)16-24(28-21)30-12-14-33-15-13-30/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31)(H,29,32)
InChIKeyFKNXYPURUUTCKL-UHFFFAOYSA-N
XLogP4.14
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 46364061
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997126
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (CID 22426976) is N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is CCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The InChIKey is FKNXYPURUUTCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-34-23-7-5-4-6-22(23)29-26(32)11-10-25(31)27-19-8-9-21-20(17-19)18(2)16-24(28-21)30-12-14-33-15-13-30/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31)(H,29,32).
What are the key properties of N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide has a molecular weight of 462.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is sourced from PubChem (CID 22426976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).